Page last updated: 2024-12-10

1-(1-tert-butyl-5-tetrazolyl)-N-(2-furanylmethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

The compound you described, **1-(1-tert-butyl-5-tetrazolyl)-N-(2-furanylmethyl)-N-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine**, is a complex organic molecule with a specific structure designed for a particular purpose.

**Here's what we can infer about its importance for research:**

* **Structure:** The compound has a distinctive structure with various functional groups:
* **Tetrazole ring:** Tetrazoles are often used as bioisosteres of carboxylic acids, meaning they can mimic the behavior of carboxylic acids in biological systems.
* **tert-butyl group:** This bulky group can influence the compound's shape and interactions with other molecules.
* **Trifluoromethyl group:** Fluorine-containing groups can enhance a molecule's lipophilicity (ability to dissolve in fats), which can be important for drug delivery and interaction with biological membranes.
* **Furan ring:** This ring structure can also influence the compound's lipophilicity and contribute to its overall shape.
* **Aromatic rings:** The phenyl and furanyl rings contribute to the compound's electron distribution and potential for interaction with biological targets.
* **Potential Uses:** Given the structure, this compound is likely being researched as a potential **pharmacological agent**, possibly with activity against:
* **Infections:** Tetrazoles have been explored as potential anti-infective agents.
* **Inflammation:** Some compounds with similar structural features have shown anti-inflammatory properties.
* **Neurological disorders:** The compound might have potential for interaction with neuronal receptors or neurotransmitters.

**To fully understand its importance, we'd need more information:**

* **Biological Activity:** What specific biological effects has this compound shown in research studies?
* **Target:** Is there a specific protein or pathway it is designed to interact with?
* **Preclinical Studies:** Are there preclinical studies underway to evaluate its safety and efficacy in animal models?

**In summary,** the complex structure of this compound suggests it's likely a potential drug candidate being investigated for its pharmacological properties. Further research is needed to understand its precise role and potential for therapeutic applications.

Cross-References

ID SourceID
PubMed CID3229320
CHEMBL ID1439337
CHEBI ID112316

Synonyms (17)

Synonym
benzyl-[(1-tert-butyl-1h-tetrazol-5-yl)-(4-trifluoromethyl-phenyl)-methyl]-furan-2-ylmethyl-amine
MLS000528002 ,
smr000120576
CHEBI:112316
n-benzyl-1-(1-tert-butyltetrazol-5-yl)-n-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
AKOS000757014
AKOS024314784
MLS003910037
HMS2177K16
REGID_FOR_CID_3229320
1-(1-tert-butyl-5-tetrazolyl)-n-(2-furanylmethyl)-n-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
cid_3229320
benzyl-[(1-tert-butyltetrazol-5-yl)-[4-(trifluoromethyl)phenyl]methyl]-(2-furfuryl)amine
bdbm42418
1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-n-(furan-2-ylmethyl)-n-(phenylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CHEMBL1439337
Q27192420
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
(trifluoromethyl)benzenesAn organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (9)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
glp-1 receptor, partialHomo sapiens (human)Potency5.62340.01846.806014.1254AID624417
TDP1 proteinHomo sapiens (human)Potency24.84460.000811.382244.6684AID686978; AID686979
IDH1Homo sapiens (human)Potency23.10930.005210.865235.4813AID686970
nuclear factor erythroid 2-related factor 2 isoform 2Homo sapiens (human)Potency14.58100.00419.984825.9290AID504444
nuclear receptor ROR-gamma isoform 1Mus musculus (house mouse)Potency5.14530.00798.23321,122.0200AID2546; AID2551
gemininHomo sapiens (human)Potency6.51310.004611.374133.4983AID624296
neuropeptide S receptor isoform AHomo sapiens (human)Potency15.84890.015812.3113615.5000AID1461
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
neuropeptide Y receptor type 1Homo sapiens (human)IC50 (µMol)35.00001.93806.50679.0040AID1277
neuropeptide Y receptor type 2Homo sapiens (human)IC50 (µMol)35.00000.22004.49478.1510AID1278
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (13)

Assay IDTitleYearJournalArticle
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (20.00)29.6817
2010's3 (60.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.36 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]